CID 53416026

3-(bromomethyl)-1,1-difluorocyclobutane

Structural Information

Molecular Formula
C5H7BrF2
SMILES
C1C(CC1(F)F)CBr
InChI
InChI=1S/C5H7BrF2/c6-3-4-1-5(7,8)2-4/h4H,1-3H2
InChIKey
CAVNVGJESLKKME-UHFFFAOYSA-N
Compound name
3-(bromomethyl)-1,1-difluorocyclobutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

286
Patents

183.96992 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.97720 122.2
[M+Na]+ 206.95914 133.7
[M-H]- 182.96264 126.7
[M+NH4]+ 202.00374 141.7
[M+K]+ 222.93308 126.4
[M+H-H2O]+ 166.96718 118.9
[M+HCOO]- 228.96812 140.7
[M+CH3COO]- 242.98377 182.6
[M+Na-2H]- 204.94459 130.4
[M]+ 183.96937 145.0
[M]- 183.97047 145.0
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