CID 87912

2-chloro-1,1,3,3-tetrafluoropropane

Structural Information

Molecular Formula
C3H3ClF4
SMILES
C(C(F)F)(C(F)F)Cl
InChI
InChI=1S/C3H3ClF4/c4-1(2(5)6)3(7)8/h1-3H
InChIKey
TXTDSKOBDLHVMR-UHFFFAOYSA-N
Compound name
2-chloro-1,1,3,3-tetrafluoropropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

215
Patents

149.98595 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.99323 118.1
[M+Na]+ 172.97517 126.7
[M-H]- 148.97867 113.4
[M+NH4]+ 168.01977 139.8
[M+K]+ 188.94911 124.8
[M+H-H2O]+ 132.98321 111.7
[M+HCOO]- 194.98415 131.2
[M+CH3COO]- 208.99980 176.1
[M+Na-2H]- 170.96062 120.6
[M]+ 149.98540 113.3
[M]- 149.98650 113.3
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