CID 68182

507-52-8

Structural Information

Molecular Formula
C4H7F3O
SMILES
CC(C)(C(F)(F)F)O
InChI
InChI=1S/C4H7F3O/c1-3(2,8)4(5,6)7/h8H,1-2H3
InChIKey
OCGWWLDZAFOHGD-UHFFFAOYSA-N
Compound name
1,1,1-trifluoro-2-methylpropan-2-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2354
Patents

128.0449 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.052176 120.1
[M+Na]+ 151.034118 128.8
[M-H]- 127.037624 115.9
[M+NH4]+ 146.078723 141.8
[M+K]+ 167.008058 128.3
[M+H-H2O]+ 111.042160 114.8
[M+HCOO]- 173.043101 137.0
[M+CH3COO]- 187.058751 168.9
[M+Na-2H]- 149.019566 127.4
[M]+ 128.04435142 115.3
[M]- 128.04544858 115.3
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