CID 114553798

2-amino-5-chloro-4-fluorobenzaldehyde

Structural Information

Molecular Formula
C7H5ClFNO
SMILES
C1=C(C(=CC(=C1Cl)F)N)C=O
InChI
InChI=1S/C7H5ClFNO/c8-5-1-4(3-11)7(10)2-6(5)9/h1-3H,10H2
InChIKey
PPZKIKDYHUPMON-UHFFFAOYSA-N
Compound name
2-amino-5-chloro-4-fluorobenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

71
Patents

173.00436 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.011636 128.8
[M+Na]+ 195.993578 140.1
[M-H]- 171.997084 131.6
[M+NH4]+ 191.038183 150.2
[M+K]+ 211.967518 135.8
[M+H-H2O]+ 156.001620 123.8
[M+HCOO]- 218.002561 149.2
[M+CH3COO]- 232.018211 180.5
[M+Na-2H]- 193.979026 134.2
[M]+ 173.00381142 129.0
[M]- 173.00490858 129.0
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