CID 43515608

[3,5-dichloro-2-(difluoromethoxy)phenyl]methanamine

Structural Information

Molecular Formula
C8H7Cl2F2NO
SMILES
C1=C(C=C(C(=C1CN)OC(F)F)Cl)Cl
InChI
InChI=1S/C8H7Cl2F2NO/c9-5-1-4(3-13)7(6(10)2-5)14-8(11)12/h1-2,8H,3,13H2
InChIKey
HMVGTNMWOUERFJ-UHFFFAOYSA-N
Compound name
[3,5-dichloro-2-(difluoromethoxy)phenyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.98727 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.99455 142.0
[M+Na]+ 263.97649 152.7
[M-H]- 239.97999 142.5
[M+NH4]+ 259.02109 160.9
[M+K]+ 279.95043 147.3
[M+H-H2O]+ 223.98453 136.7
[M+HCOO]- 285.98547 154.9
[M+CH3COO]- 300.00112 192.6
[M+Na-2H]- 261.96194 144.4
[M]+ 240.98672 142.7
[M]- 240.98782 142.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.