CID 2778912

1,2-dibromoperfluoroheptane

Structural Information

Molecular Formula
C7Br2F14
SMILES
C(C(C(C(F)(F)F)(F)F)(F)F)(C(C(C(F)(F)Br)(F)Br)(F)F)(F)F
InChI
InChI=1S/C7Br2F14/c8-1(10,6(9,19)20)2(11,12)3(13,14)4(15,16)5(17,18)7(21,22)23
InChIKey
HSLSYHFNCGWUKN-UHFFFAOYSA-N
Compound name
1,2-dibromo-1,1,2,3,3,4,4,5,5,6,6,7,7,7-tetradecafluoroheptane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

507.81433 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 508.82161 215.5
[M+Na]+ 530.80355 226.9
[M-H]- 506.80705 207.8
[M+NH4]+ 525.84815 226.1
[M+K]+ 546.77749 209.8
[M+H-H2O]+ 490.81159 214.4
[M+HCOO]- 552.81253 211.3
[M+CH3COO]- 566.82818 231.6
[M+Na-2H]- 528.78900 215.6
[M]+ 507.81378 226.6
[M]- 507.81488 226.6
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

No patent data available for this compound.