CID 20453893

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

Structural Information

Molecular Formula
C3H3ClF4
SMILES
CC(C(F)(F)F)(F)Cl
InChI
InChI=1S/C3H3ClF4/c1-2(4,5)3(6,7)8/h1H3
InChIKey
SMCNZLDHTZESTK-UHFFFAOYSA-N
Compound name
2-chloro-1,1,1,2-tetrafluoropropane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3352
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 118.4
[M+Na]+ 172.97517 128.7
[M-H]- 148.97867 114.3
[M+NH4]+ 168.01977 140.7
[M+K]+ 188.94911 126.3
[M+H-H2O]+ 132.98321 112.9
[M+HCOO]- 194.98415 131.4
[M+CH3COO]- 208.99980 173.6
[M+Na-2H]- 170.96062 125.8
[M]+ 149.98540 114.2
[M]- 149.98650 114.2
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