CID 92135511

3-(chloromethyl)-1,1-difluorocyclobutane

Structural Information

Molecular Formula
C5H7ClF2
SMILES
C1C(CC1(F)F)CCl
InChI
InChI=1S/C5H7ClF2/c6-3-4-1-5(7,8)2-4/h4H,1-3H2
InChIKey
NLYOMNGIMDUMHK-UHFFFAOYSA-N
Compound name
3-(chloromethyl)-1,1-difluorocyclobutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

140.02043 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.02771 117.4
[M+Na]+ 163.00965 126.5
[M-H]- 139.01315 118.9
[M+NH4]+ 158.05425 135.8
[M+K]+ 178.98359 126.3
[M+H-H2O]+ 123.01769 109.0
[M+HCOO]- 185.01863 133.7
[M+CH3COO]- 199.03428 176.0
[M+Na-2H]- 160.99510 124.2
[M]+ 140.01988 124.2
[M]- 140.02098 124.2
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

No patent data available for this compound.