CID 84654527

3-bromo-1,1-difluorobutane

Structural Information

Molecular Formula
C4H7BrF2
SMILES
CC(CC(F)F)Br
InChI
InChI=1S/C4H7BrF2/c1-3(5)2-4(6)7/h3-4H,2H2,1H3
InChIKey
YZBHUWLCZQNWKB-UHFFFAOYSA-N
Compound name
3-bromo-1,1-difluorobutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

171.96992 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.97720 129.2
[M+Na]+ 194.95914 140.3
[M-H]- 170.96264 130.1
[M+NH4]+ 190.00374 152.9
[M+K]+ 210.93308 130.8
[M+H-H2O]+ 154.96718 128.7
[M+HCOO]- 216.96812 147.2
[M+CH3COO]- 230.98377 179.4
[M+Na-2H]- 192.94459 134.6
[M]+ 171.96937 144.4
[M]- 171.97047 144.4
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