CID 12376289

17351-95-0

Structural Information

Molecular Formula
C8H7F3O
SMILES
C1=CC=C(C=C1)OCC(F)(F)F
InChI
InChI=1S/C8H7F3O/c9-8(10,11)6-12-7-4-2-1-3-5-7/h1-5H,6H2
InChIKey
MFWASTQSJSBGNG-UHFFFAOYSA-N
Compound name
2,2,2-trifluoroethoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1002
Patents

176.0449 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.05218 130.9
[M+Na]+ 199.03412 139.4
[M-H]- 175.03762 130.8
[M+NH4]+ 194.07872 151.1
[M+K]+ 215.00806 137.4
[M+H-H2O]+ 159.04216 123.1
[M+HCOO]- 221.04310 151.3
[M+CH3COO]- 235.05875 178.4
[M+Na-2H]- 197.01957 138.5
[M]+ 176.04435 127.8
[M]- 176.04545 127.8
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