CID 18364514

3-chloro-3,3-difluoroprop-1-ene

Structural Information

Molecular Formula
C3H3ClF2
SMILES
C=CC(F)(F)Cl
InChI
InChI=1S/C3H3ClF2/c1-2-3(4,5)6/h2H,1H2
InChIKey
AQBMNBSTXOCKKZ-UHFFFAOYSA-N
Compound name
3-chloro-3,3-difluoroprop-1-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

477
Patents

111.989136 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.99641 112.6
[M+Na]+ 134.97835 122.7
[M-H]- 110.98186 110.9
[M+NH4]+ 130.02296 136.4
[M+K]+ 150.95229 120.1
[M+H-H2O]+ 94.986396 108.7
[M+HCOO]- 156.98734 129.4
[M+CH3COO]- 171.00299 167.1
[M+Na-2H]- 132.96380 120.6
[M]+ 111.98859 110.9
[M]- 111.98968 110.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe