CID 2736838

1,3-dichloro-2-iodo-5-(trifluoromethyl)benzene

Structural Information

Molecular Formula
C7H2Cl2F3I
SMILES
C1=C(C=C(C(=C1Cl)I)Cl)C(F)(F)F
InChI
InChI=1S/C7H2Cl2F3I/c8-4-1-3(7(10,11)12)2-5(9)6(4)13/h1-2H
InChIKey
RLCCFAVBZGICHD-UHFFFAOYSA-N
Compound name
1,3-dichloro-2-iodo-5-(trifluoromethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

339.85303 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.86031 137.8
[M+Na]+ 362.84225 143.2
[M-H]- 338.84575 131.3
[M+NH4]+ 357.88685 153.0
[M+K]+ 378.81619 143.2
[M+H-H2O]+ 322.85029 128.9
[M+HCOO]- 384.85123 144.4
[M+CH3COO]- 398.86688 196.2
[M+Na-2H]- 360.82770 131.4
[M]+ 339.85248 135.0
[M]- 339.85358 135.0
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