CID 2063352

177842-14-7

Structural Information

Molecular Formula
C8H9F2NO
SMILES
C1=CC(=CC=C1CN)OC(F)F
InChI
InChI=1S/C8H9F2NO/c9-8(10)12-7-3-1-6(5-11)2-4-7/h1-4,8H,5,11H2
InChIKey
UHWPLNHRROQPMB-UHFFFAOYSA-N
Compound name
[4-(difluoromethoxy)phenyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

400
Patents

173.06522 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.07250 132.4
[M+Na]+ 196.05444 140.1
[M-H]- 172.05794 133.1
[M+NH4]+ 191.09904 152.2
[M+K]+ 212.02838 138.1
[M+H-H2O]+ 156.06248 124.8
[M+HCOO]- 218.06342 154.8
[M+CH3COO]- 232.07907 181.9
[M+Na-2H]- 194.03989 137.2
[M]+ 173.06467 129.0
[M]- 173.06577 129.0
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

patents stripe