CID 10000

3-chloro-1,1,1-trifluoropropane

Structural Information

Molecular Formula
C3H4ClF3
SMILES
C(CCl)C(F)(F)F
InChI
InChI=1S/C3H4ClF3/c4-2-1-3(5,6)7/h1-2H2
InChIKey
ZPIFKCVYZBVZIV-UHFFFAOYSA-N
Compound name
3-chloro-1,1,1-trifluoropropane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

1266
Patents

131.99536 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.00264 116.4
[M+Na]+ 154.98458 126.2
[M-H]- 130.98808 113.2
[M+NH4]+ 150.02918 139.4
[M+K]+ 170.95852 123.9
[M+H-H2O]+ 114.99262 111.3
[M+HCOO]- 176.99356 132.0
[M+CH3COO]- 191.00921 170.3
[M+Na-2H]- 152.97003 123.7
[M]+ 131.99481 114.1
[M]- 131.99591 114.1
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