CID 129974008

1-(2,3-difluoro-5-iodophenyl)methanamine hydrochloride

Structural Information

Molecular Formula
C7H6F2IN
SMILES
C1=C(C=C(C(=C1CN)F)F)I
InChI
InChI=1S/C7H6F2IN/c8-6-2-5(10)1-4(3-11)7(6)9/h1-2H,3,11H2
InChIKey
FMKODVVNVYJVJU-UHFFFAOYSA-N
Compound name
(2,3-difluoro-5-iodophenyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.9513 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.958576 138.0
[M+Na]+ 291.940518 140.8
[M-H]- 267.944024 132.5
[M+NH4]+ 286.985123 153.8
[M+K]+ 307.914458 143.7
[M+H-H2O]+ 251.948560 127.4
[M+HCOO]- 313.949501 156.0
[M+CH3COO]- 327.965151 189.7
[M+Na-2H]- 289.925966 130.5
[M]+ 268.95075142 131.9
[M]- 268.95184858 131.9
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.