CID 120319

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

Structural Information

Molecular Formula
C3H3ClF4
SMILES
C(C(C(F)F)(F)F)Cl
InChI
InChI=1S/C3H3ClF4/c4-1-3(7,8)2(5)6/h2H,1H2
InChIKey
WMCLYSGSAJGCJY-UHFFFAOYSA-N
Compound name
3-chloro-1,1,2,2-tetrafluoropropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

587
Patents

149.98595 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.99323 118.1
[M+Na]+ 172.97517 127.7
[M-H]- 148.97867 113.6
[M+NH4]+ 168.01977 140.1
[M+K]+ 188.94911 125.2
[M+H-H2O]+ 132.98321 112.1
[M+HCOO]- 194.98415 131.7
[M+CH3COO]- 208.99980 174.6
[M+Na-2H]- 170.96062 123.7
[M]+ 149.98540 114.0
[M]- 149.98650 114.0
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

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