CID 2794914

(2,6-dichloro-3-nitrophenyl)methanol

Structural Information

Molecular Formula
C7H5Cl2NO3
SMILES
C1=CC(=C(C(=C1[N+](=O)[O-])Cl)CO)Cl
InChI
InChI=1S/C7H5Cl2NO3/c8-5-1-2-6(10(12)13)7(9)4(5)3-11/h1-2,11H,3H2
InChIKey
SBOJVVSPAOOEEB-UHFFFAOYSA-N
Compound name
(2,6-dichloro-3-nitrophenyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

44
Patents

220.96465 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.97193 139.8
[M+Na]+ 243.95387 149.5
[M-H]- 219.95737 141.9
[M+NH4]+ 238.99847 158.3
[M+K]+ 259.92781 141.1
[M+H-H2O]+ 203.96191 141.5
[M+HCOO]- 265.96285 155.1
[M+CH3COO]- 279.97850 178.0
[M+Na-2H]- 241.93932 145.8
[M]+ 220.96410 141.6
[M]- 220.96520 141.6
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