CID 54472851

755-53-3

Structural Information

Molecular Formula
C12H6BF21O3
SMILES
B(OCC(C(C(F)(F)F)(F)F)(F)F)(OCC(C(C(F)(F)F)(F)F)(F)F)OCC(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C12H6BF21O3/c14-4(15,7(20,21)10(26,27)28)1-35-13(36-2-5(16,17)8(22,23)11(29,30)31)37-3-6(18,19)9(24,25)12(32,33)34/h1-3H2
InChIKey
XJNAPTARYFQVEU-UHFFFAOYSA-N
Compound name
tris(2,2,3,3,4,4,4-heptafluorobutyl) borate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

5
Patents

608.00745 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 609.01473 180.7
[M+Na]+ 630.99667 185.0
[M-H]- 607.00017 189.0
[M+NH4]+ 626.04127 192.4
[M+K]+ 646.97061 195.8
[M+H-H2O]+ 591.00471 170.4
[M+HCOO]- 653.00565 198.0
[M+CH3COO]- 667.02130 251.4
[M+Na-2H]- 628.98212 180.2
[M]+ 608.00690 178.2
[M]- 608.00800 178.2
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