CID 10850673

3,5-difluoro-2-iodo-4-methoxyaniline

Structural Information

Molecular Formula
C7H6F2INO
SMILES
COC1=C(C=C(C(=C1F)I)N)F
InChI
InChI=1S/C7H6F2INO/c1-12-7-3(8)2-4(11)6(10)5(7)9/h2H,11H2,1H3
InChIKey
VJGKUYFOHSUBEJ-UHFFFAOYSA-N
Compound name
3,5-difluoro-2-iodo-4-methoxyaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

284.94623 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.95351 141.5
[M+Na]+ 307.93545 145.1
[M-H]- 283.93895 136.4
[M+NH4]+ 302.98005 157.0
[M+K]+ 323.90939 148.5
[M+H-H2O]+ 267.94349 131.0
[M+HCOO]- 329.94443 159.7
[M+CH3COO]- 343.96008 192.8
[M+Na-2H]- 305.92090 133.3
[M]+ 284.94568 137.2
[M]- 284.94678 137.2
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

patents stripe