CID 12759420

1-bromo-3-chloro-2-fluoro-2-methylpropane

Structural Information

Molecular Formula
C4H7BrClF
SMILES
CC(CCl)(CBr)F
InChI
InChI=1S/C4H7BrClF/c1-4(7,2-5)3-6/h2-3H2,1H3
InChIKey
WHMFDVKQQDRAQG-UHFFFAOYSA-N
Compound name
1-bromo-3-chloro-2-fluoro-2-methylpropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

187.94037 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.94765 129.5
[M+Na]+ 210.92959 142.6
[M-H]- 186.93309 131.8
[M+NH4]+ 205.97419 153.9
[M+K]+ 226.90353 130.7
[M+H-H2O]+ 170.93763 131.3
[M+HCOO]- 232.93857 144.7
[M+CH3COO]- 246.95422 179.2
[M+Na-2H]- 208.91504 138.2
[M]+ 187.93982 148.4
[M]- 187.94092 148.4
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