CID 256220

Methyl 2,2,2-trifluoroethanimidate

Structural Information

Molecular Formula
C3H4F3NO
SMILES
COC(=N)C(F)(F)F
InChI
InChI=1S/C3H4F3NO/c1-8-2(7)3(4,5)6/h7H,1H3
InChIKey
JFUXCQSSEVTROW-UHFFFAOYSA-N
Compound name
methyl 2,2,2-trifluoroethanimidate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

127.0245 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.03178 118.2
[M+Na]+ 150.01372 126.5
[M-H]- 126.01722 115.2
[M+NH4]+ 145.05832 140.1
[M+K]+ 165.98766 126.5
[M+H-H2O]+ 110.02176 111.7
[M+HCOO]- 172.02270 138.7
[M+CH3COO]- 186.03835 172.0
[M+Na-2H]- 147.99917 124.7
[M]+ 127.02395 113.1
[M]- 127.02505 113.1
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