CID 14993428

67193-90-2

Structural Information

Molecular Formula
C12BrF25
SMILES
C(C(C(C(C(C(C(F)(F)Br)(F)F)(F)F)(F)F)(F)F)(F)F)(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C12BrF25/c13-11(34,35)9(30,31)7(26,27)5(22,23)3(18,19)1(14,15)2(16,17)4(20,21)6(24,25)8(28,29)10(32,33)12(36,37)38
InChIKey
XLDCRDVOTVYYPR-UHFFFAOYSA-N
Compound name
1-bromo-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-pentacosafluorododecane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

53
Patents

697.8784 Da
Monoisotopic Mass

9.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 698.88568 209.7
[M+Na]+ 720.86762 213.5
[M-H]- 696.87112 218.7
[M+NH4]+ 715.91222 220.2
[M+K]+ 736.84156 226.0
[M+H-H2O]+ 680.87566 197.4
[M+HCOO]- 742.87660 226.9
[M+CH3COO]- 756.89225 257.6
[M+Na-2H]- 718.85307 210.4
[M]+ 697.87785 207.4
[M]- 697.87895 207.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe